1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid

C10H14N2O3 — CID 131606295

IUPAC1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid
SMILESCCn1nc(C2CCOC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12-9(10(13)14)5-8(11-12)7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyZXNPVCGKKHKWMP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds3

About 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid

1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid (PubChem CID 131606295) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid
PubChem CID131606295
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid
SMILESCCn1nc(C2CCOC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12-9(10(13)14)5-8(11-12)7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyZXNPVCGKKHKWMP-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505
2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271501
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
CID 115092483
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid
CID 121211302
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108197
3-amino-2-(oxolan-3-yl)imidazole-4-carboxylic acid
CID 118955919
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
3-cyclopropyl-1-ethyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)pyrazole-5-carboxamide
CID 138017663

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid (CID 131606295) is 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid is CCn1nc(C2CCOC2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The InChIKey is ZXNPVCGKKHKWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12-9(10(13)14)5-8(11-12)7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid?
1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 131606295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).